Preparation of hierarchically structured porous aluminas by a dual soft template method

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

DNA block copolymers – from micelles to machines

DNA block copolymer, a new class of hybrid material composed of a synthetic polymer and an oligodeoxynucleotide segment, owns unique properties which can not be achieved by only one of the two polymers. Among amphiphilic DNA block copolymers, DNA-b-polypropylene oxide (PPO) was chosen as a model system, because PPO is biocompatible and has a Tg < 0 °C. Both properties might be essential for future applications in living systems. During my PhD study, I focused on the properties and the structures of DNA-b-PPO molecules. First, DNA-b-PPO micelles were studied by scanning force microscopy (SFM) and fluorescence correlation spectroscopy (FCS). In order to control the size of micelles without re-synthesis, micelles were incubated with template-independent DNA polymerase TdT and deoxynucleotide triphosphates in reaction buffer solution. By carrying out ex-situ experiments, the growth of micelles was visualized by imaging in liquid with AFM. Complementary measurements with FCS and polyacrylamide gel electrophoresis (PAGE) confirmed the increase in size. Furthermore, the growing process was studied with AFM in-situ at 37 °C. Hereby the growth of individual micelles could be observed. In contrast to ex-situ reactions, the growth of micelles adsorbed on mica surface for in-situ experiments terminated about one hour after the reaction was initiated. Two reasons were identified for the termination: (i) block of catalytic sites by interaction with the substrate and (ii) reduced exchange of molecules between micelles and the liquid environment. In addition, a geometrical model for AFM imaging was developed which allowed deriving the average number of mononucleotides added to DNA-b-PPO molecules in dependence on the enzymatic reaction time (chapter 3). Second, a prototype of a macroscopic DNA machine made of DNA-b-PPO was investigated. As DNA-b-PPO molecules were amphiphilic, they could form a monolayer at the air-water interface. Using a Langmuir film balance, the energy released owing to DNA hybridization was converted into macroscopic movements of the barriers in the Langmuir trough. A specially adapted Langmuir trough was build to exchange the subphase without changing the water level significantly. Upon exchanging the subphase with complementary DNA containing buffer solution, an increase of lateral pressure was observed which could be attributed to hybridization of single stranded DNA-b-PPO. The pressure versus area/molecule isotherms were recorded before and after hybridization. I also carried out a series of control experiments, in order to identify the best conditions of realizing a DNA machine with DNA-b-PPO. To relate the lateral pressure with molecular structures, Langmuir Blodgett (LB) films were transferred to highly ordered pyrolytic graphite (HOPG) and mica substrates at different pressures. These films were then investigated with AFM (chapter 4). At last, this thesis includes studies of DNA and DNA block copolymer assemblies with AFM, which were performed in cooperation with different group of the Sonderforschungsbereich 625 “From Single Molecules to Nanoscopically Structured Materials”. AFM was proven to be an important method to confirm the formation of multiblock copolymers and DNA networks (chapter 5).

Graph algorithms for bioinformatics

Biological data are inherently interconnected: protein sequences are connected to their annotations, the annotations are structured into ontologies, and so on. While protein-protein interactions are already represented by graphs, in this work I am presenting how a graph structure can be used to enrich the annotation of protein sequences thanks to algorithms that analyze the graph topology. We also describe a novel solution to restrict the data generation needed for building such a graph, thanks to constraints on the data and dynamic programming. The proposed algorithm ideally improves the generation time by a factor of 5. The graph representation is then exploited to build a comprehensive database, thanks to the rising technology of graph databases. While graph databases are widely used for other kind of data, from Twitter tweets to recommendation systems, their application to bioinformatics is new. A graph database is proposed, with a structure that can be easily expanded and queried.

Coded slotted aloha with multipacket reception over block fading channels (for satellite networks)

Random access (RA) protocols are normally used in a satellite networks for initial terminal access and are particularly effective since no coordination is required. On the other hand, contention resolution diversity slotted Aloha (CRDSA), irregular repetition slotted Aloha (IRSA) and coded slotted Aloha (CSA) has shown to be more efficient than classic RA schemes as slotted Aloha, and can be exploited also when short packets transmissions are done over a shared medium. In particular, they relies on burst repetition and on successive interference cancellation (SIC) applied at the receiver. The SIC process can be well described using a bipartite graph representation and exploiting tools used for analyze iterative decoding. The scope of my Master Thesis has been to described the performance of such RA protocols when the Rayleigh fading is taken into account. In this context, each user has the ability to correctly decode a packet also in presence of collision and when SIC is considered this may result in multi-packet reception. Analysis of the SIC procedure under Rayleigh fading has been analytically derived for the asymptotic case (infinite frame length), helping the analysis of both throughput and packet loss rates. An upper bound of the achievable performance has been analytically obtained. It can be show that in particular channel conditions the throughput of the system can be greater than one packets per slot which is the theoretical limit of the Collision Channel case.

Fixed block configuration GDDs with block size 6 and (3, r)-regular graphs

Chapter 1 is used to introduce the basic tools and mechanics used within this thesis. Most of the definitions used in the thesis will be defined, and we provide a basic survey of topics in graph theory and design theory pertinent to the topics studied in this thesis. In Chapter 2, we are concerned with the study of fixed block configuration group divisible designs, GDD(n; m; k; λ1; λ2). We study those GDDs in which each block has configuration (s; t), that is, GDDs in which each block has exactly s points from one of the two groups and t points from the other. Chapter 2 begins with an overview of previous results and constructions for small group size and block sizes 3, 4 and 5. Chapter 2 is largely devoted to presenting constructions and results about GDDs with two groups and block size 6. We show the necessary conditions are sufficient for the existence of GDD(n, 2, 6; λ1, λ2) with fixed block configuration (3; 3). For configuration (1; 5), we give minimal or nearminimal index constructions for all group sizes n ≥ 5 except n = 10, 15, 160, or 190. For configuration (2, 4), we provide constructions for several families ofGDD(n, 2, 6; λ1, λ2)s. Chapter 3 addresses characterizing (3, r)-regular graphs. We begin with providing previous results on the well studied class of (2, r)-regular graphs and some results on the structure of large (t; r)-regular graphs. In Chapter 3, we completely characterize all (3, 1)-regular and (3, 2)-regular graphs, as well has sharpen existing bounds on the order of large (3, r)- regular graphs of a certain form for r ≥ 3. Finally, the appendix gives computational data resulting from Sage and C programs used to generate (3, 3)-regular graphs on less than 10 vertices.

Probabilistic mapping with mobile robots in structured environments

La mayor parte de los entornos diseñados por el hombre presentan características geométricas específicas. En ellos es frecuente encontrar formas poligonales, rectangulares, circulares . . . con una serie de relaciones típicas entre distintos elementos del entorno. Introducir este tipo de conocimiento en el proceso de construcción de mapas de un robot móvil puede mejorar notablemente la calidad y la precisión de los mapas resultantes. También puede hacerlos más útiles de cara a un razonamiento de más alto nivel. Cuando la construcción de mapas se formula en un marco probabilístico Bayesiano, una especificación completa del problema requiere considerar cierta información a priori sobre el tipo de entorno. El conocimiento previo puede aplicarse de varias maneras, en esta tesis se presentan dos marcos diferentes: uno basado en el uso de primitivas geométricas y otro que emplea un método de representación cercano al espacio de las medidas brutas. Un enfoque basado en características geométricas supone implícitamente imponer un cierto modelo a priori para el entorno. En este sentido, el desarrollo de una solución al problema SLAM mediante la optimización de un grafo de características geométricas constituye un primer paso hacia nuevos métodos de construcción de mapas en entornos estructurados. En el primero de los dos marcos propuestos, el sistema deduce la información a priori a aplicar en cada caso en base a una extensa colección de posibles modelos geométricos genéricos, siguiendo un método de Maximización de la Esperanza para hallar la estructura y el mapa más probables. La representación de la estructura del entorno se basa en un enfoque jerárquico, con diferentes niveles de abstracción para los distintos elementos geométricos que puedan describirlo. Se llevaron a cabo diversos experimentos para mostrar la versatilidad y el buen funcionamiento del método propuesto. En el segundo marco, el usuario puede definir diferentes modelos de estructura para el entorno mediante grupos de restricciones y energías locales entre puntos vecinos de un conjunto de datos del mismo. El grupo de restricciones que se aplica a cada grupo de puntos depende de la topología, que es inferida por el propio sistema. De este modo, se pueden incorporar nuevos modelos genéricos de estructura para el entorno con gran flexibilidad y facilidad. Se realizaron distintos experimentos para demostrar la flexibilidad y los buenos resultados del enfoque propuesto. Abstract Most human designed environments present specific geometrical characteristics. In them, it is easy to find polygonal, rectangular and circular shapes, with a series of typical relations between different elements of the environment. Introducing this kind of knowledge in the mapping process of mobile robots can notably improve the quality and accuracy of the resulting maps. It can also make them more suitable for higher level reasoning applications. When mapping is formulated in a Bayesian probabilistic framework, a complete specification of the problem requires considering a prior for the environment. The prior over the structure of the environment can be applied in several ways; this dissertation presents two different frameworks, one using a feature based approach and another one employing a dense representation close to the measurements space. A feature based approach implicitly imposes a prior for the environment. In this sense, feature based graph SLAM was a first step towards a new mapping solution for structured scenarios. In the first framework, the prior is inferred by the system from a wide collection of feature based priors, following an Expectation-Maximization approach to obtain the most probable structure and the most probable map. The representation of the structure of the environment is based on a hierarchical model with different levels of abstraction for the geometrical elements describing it. Various experiments were conducted to show the versatility and the good performance of the proposed method. In the second framework, different priors can be defined by the user as sets of local constraints and energies for consecutive points in a range scan from a given environment. The set of constraints applied to each group of points depends on the topology, which is inferred by the system. This way, flexible and generic priors can be incorporated very easily. Several tests were carried out to demonstrate the flexibility and the good results of the proposed approach.

Structured packing in air distillation

An economic analysis has been performed to establish when it is advantageous to use structured packing in air separation plant. A model of a low pressure cycle was developed to calculate the power saved when packing is used, and cost models were developed for the columns and cold box. The rate of return was calculated on the extra investment required for a packed plant based on the annual power saving. Structured packing was found to be economic only in larger plants, where economies of scale mean that the increased capital cost becomes less significant compared with the power saved. It was also found that different sized plants favour different packings. The analysis identified that the packing variable with the biggest impact on the economic balance was the efficiency and that increasing the efficiency of current packings could enhance their balance in air distillation. A new packing was therefore developed to have a higher efficiency than conventional ones. The vapour phase resistance was targeted for reduction, since most packing models predict this to be dominant. The final shape was chosen as the easiest and most economic to make. It has converging and diverging channels and was manufactured in two specific areas and with two block heights by Tianjin University Packing Factory. A 0.3 m diameter distillation column test rig was designed, built and commissioned with the standard Sulzer Mellapak 500YW. It was then used to test the new packing alongside some standard ones. Because the packings had different specific areas, correlations of published results were developed to allow a true comparison to be made. The test results show that, unexpectedly, the packings with 0.1 m high blocks have an efficiency about 8% greater than the standard 0.2 m blocks. The new shape as implemented in the 350Y packing shows an additional 7% greater efficiency, so it is 15% better than a standard packing with the same area. It has a better efficiency than the Mellapak 500YW and the higher capacity associated with its lower area. The new 500Y did not show a significant advantage.

Improving Storage Performance Through Layout Optimizations

Disk drives are the bottleneck in the processing of large amounts of data used in almost all common applications. File systems attempt to reduce this by storing data sequentially on the disk drives, thereby reducing the access latencies. Although this strategy is useful when data is retrieved sequentially, the access patterns in real world workloads is not necessarily sequential and this mismatch results in storage I/O performance degradation. This thesis demonstrates that one way to improve the storage performance is to reorganize data on disk drives in the same way in which it is mostly accessed. We identify two classes of accesses: static, where access patterns do not change over the lifetime of the data and dynamic, where access patterns frequently change over short durations of time, and propose, implement and evaluate layout strategies for each of these. Our strategies are implemented in a way that they can be seamlessly integrated or removed from the system as desired. We evaluate our layout strategies for static policies using tree-structured XML data where accesses to the storage device are mostly of two kinds - parent-tochild or child-to-sibling. Our results show that for a specific class of deep-focused queries, the existing file system layout policy performs better by 5-54X. For the non-deep-focused queries, our native layout mechanism shows an improvement of 3-127X. To improve performance of the dynamic access patterns, we implement a self-optimizing storage system that performs rearranges popular block accesses on a dedicated partition based on the observed workload characteristics. Our evaluation shows an improvement of over 80% in the disk busy times over a range of workloads. These results show that applying the knowledge of data access patterns for allocation decisions can substantially improve the I/O performance.

Integrating structured data using property precedence

Data integration systems offer uniform access to a set of autonomous and heterogeneous data sources. One of the main challenges in data integration is reconciling semantic differences among data sources. Approaches that been used to solve this problem can be categorized as schema-based and attribute-based. Schema-based approaches use schema information to identify the semantic similarity in data; furthermore, they focus on reconciling types before reconciling attributes. In contrast, attribute-based approaches use statistical and structural information of attributes to identify the semantic similarity of data in different sources. This research examines an approach to semantic reconciliation based on integrating properties expressed at different levels of abstraction or granularity using the concept of property precedence. Property precedence reconciles the meaning of attributes by identifying similarities between attributes based on what these attributes represent in the real world. In order to use property precedence for semantic integration, we need to identify the precedence of attributes within and across data sources. The goal of this research is to develop and evaluate a method and algorithms that will identify precedence relations among attributes and build property precedence graph (PPG) that can be used to support integration.

Convex Optimization Algorithms and Statistical Bounds for Learning Structured Models

Thesis (Ph.D.)--University of Washington, 2016-08

Separate compilation of structured documents

This paper draws a parallel between document preparation and the traditional processes of compilation and link editing for computer programs. A block-based document model is described which allows for separate compilation of various portions of a document. These portions are brought together and merged by a linker program, called dlink, whose pilot implementation is based on ditroff and on its underlying intermediate code. In the light of experiences with dlink the requirements for a universal object-module language for documents are discussed. These requirements often resemble the characteristics of the intermediate codes used by programming-language compilers but with interesting extra constraints which arise from the way documents are executed .

Probabilistic Models for Scalable Knowledge Graph Construction

In the past decade, systems that extract information from millions of Internet documents have become commonplace. Knowledge graphs -- structured knowledge bases that describe entities, their attributes and the relationships between them -- are a powerful tool for understanding and organizing this vast amount of information. However, a significant obstacle to knowledge graph construction is the unreliability of the extracted information, due to noise and ambiguity in the underlying data or errors made by the extraction system and the complexity of reasoning about the dependencies between these noisy extractions. My dissertation addresses these challenges by exploiting the interdependencies between facts to improve the quality of the knowledge graph in a scalable framework. I introduce a new approach called knowledge graph identification (KGI), which resolves the entities, attributes and relationships in the knowledge graph by incorporating uncertain extractions from multiple sources, entity co-references, and ontological constraints. I define a probability distribution over possible knowledge graphs and infer the most probable knowledge graph using a combination of probabilistic and logical reasoning. Such probabilistic models are frequently dismissed due to scalability concerns, but my implementation of KGI maintains tractable performance on large problems through the use of hinge-loss Markov random fields, which have a convex inference objective. This allows the inference of large knowledge graphs using 4M facts and 20M ground constraints in 2 hours. To further scale the solution, I develop a distributed approach to the KGI problem which runs in parallel across multiple machines, reducing inference time by 90%. Finally, I extend my model to the streaming setting, where a knowledge graph is continuously updated by incorporating newly extracted facts. I devise a general approach for approximately updating inference in convex probabilistic models, and quantify the approximation error by defining and bounding inference regret for online models. Together, my work retains the attractive features of probabilistic models while providing the scalability necessary for large-scale knowledge graph construction. These models have been applied on a number of real-world knowledge graph projects, including the NELL project at Carnegie Mellon and the Google Knowledge Graph.

Case-based reasoning in course timetabling: an attribute graph approach

An earlier Case-based Reasoning (CBR) approach developed by the authors for educational course timetabling problems employed structured cases to represent the complex relationships between courses. Previous solved cases represented by attribute graphs were organized hierarchically into a decision tree. The retrieval searches for graph isomorphism among these attribute graphs. In this paper, the approach is further developed to solve a wider range of problems. We also attempt to retrieve those graphs that have common similar structures but also have some differences. Costs that are assigned to these differences have an input upon the similarity measure. A large number of experiments are performed consisting of different randomly produced timetabling problems and the results presented here strongly indicate that a CBR approach could provide a significant step forward in the development of automated system to solve difficult timetabling problems. They show that using relatively little effort, we can retrieve these structurally similar cases to provide high quality timetables for new timetabling problems.

Top-K Query Processing in Edge-Labeled Graph Data

Edge-labeled graphs have proliferated rapidly over the last decade due to the increased popularity of social networks and the Semantic Web. In social networks, relationships between people are represented by edges and each edge is labeled with a semantic annotation. Hence, a huge single graph can express many different relationships between entities. The Semantic Web represents each single fragment of knowledge as a triple (subject, predicate, object), which is conceptually identical to an edge from subject to object labeled with predicates. A set of triples constitutes an edge-labeled graph on which knowledge inference is performed. Subgraph matching has been extensively used as a query language for patterns in the context of edge-labeled graphs. For example, in social networks, users can specify a subgraph matching query to find all people that have certain neighborhood relationships. Heavily used fragments of the SPARQL query language for the Semantic Web and graph queries of other graph DBMS can also be viewed as subgraph matching over large graphs. Though subgraph matching has been extensively studied as a query paradigm in the Semantic Web and in social networks, a user can get a large number of answers in response to a query. These answers can be shown to the user in accordance with an importance ranking. In this thesis proposal, we present four different scoring models along with scalable algorithms to find the top-k answers via a suite of intelligent pruning techniques. The suggested models consist of a practically important subset of the SPARQL query language augmented with some additional useful features. The first model called Substitution Importance Query (SIQ) identifies the top-k answers whose scores are calculated from matched vertices' properties in each answer in accordance with a user-specified notion of importance. The second model called Vertex Importance Query (VIQ) identifies important vertices in accordance with a user-defined scoring method that builds on top of various subgraphs articulated by the user. Approximate Importance Query (AIQ), our third model, allows partial and inexact matchings and returns top-k of them with a user-specified approximation terms and scoring functions. In the fourth model called Probabilistic Importance Query (PIQ), a query consists of several sub-blocks: one mandatory block that must be mapped and other blocks that can be opportunistically mapped. The probability is calculated from various aspects of answers such as the number of mapped blocks, vertices' properties in each block and so on and the most top-k probable answers are returned. An important distinguishing feature of our work is that we allow the user a huge amount of freedom in specifying: (i) what pattern and approximation he considers important, (ii) how to score answers - irrespective of whether they are vertices or substitution, and (iii) how to combine and aggregate scores generated by multiple patterns and/or multiple substitutions. Because so much power is given to the user, indexing is more challenging than in situations where additional restrictions are imposed on the queries the user can ask. The proposed algorithms for the first model can also be used for answering SPARQL queries with ORDER BY and LIMIT, and the method for the second model also works for SPARQL queries with GROUP BY, ORDER BY and LIMIT. We test our algorithms on multiple real-world graph databases, showing that our algorithms are far more efficient than popular triple stores.